==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-SEP-11 3TNI . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BAUMLI,A.J.HOLE,J.A.ENDICOTT . 550 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 1 0 0 1 1 1 3 0 0 2 1 3 0 0 2 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 7 A S 0 0 169 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.1 38.4 -5.7 -40.5 2 8 A V - 0 0 49 1,-0.1 367,-0.1 367,-0.0 0, 0.0 -0.823 360.0-116.1-124.2 132.9 37.9 -3.8 -37.3 3 9 A E - 0 0 120 -2,-0.4 -1,-0.1 365,-0.1 365,-0.0 -0.245 26.6-178.5 -62.9 147.6 39.6 -1.0 -35.3 4 10 A C > + 0 0 18 1,-0.1 3,-1.3 436,-0.0 -1,-0.1 -0.333 12.9 164.0-152.6 61.7 41.0 -1.8 -31.8 5 11 A P T 3 S+ 0 0 53 0, 0.0 434,-0.1 0, 0.0 -1,-0.1 0.613 78.4 40.1 -52.8 -30.1 42.6 1.1 -29.8 6 12 A F T 3 S+ 0 0 59 432,-0.5 2,-0.4 1,-0.2 433,-0.1 0.215 102.3 65.5-119.2 10.8 42.6 -0.5 -26.3 7 13 A C S < S- 0 0 0 -3,-1.3 -1,-0.2 67,-0.1 2,-0.2 -0.886 71.2-154.1-133.7 104.8 43.6 -4.1 -26.8 8 14 A D - 0 0 71 67,-0.5 69,-1.7 -2,-0.4 2,-0.2 -0.484 24.3-104.5 -80.1 149.1 47.2 -4.6 -28.2 9 15 A E B > -a 77 0A 93 67,-0.2 3,-1.8 -2,-0.2 69,-0.2 -0.490 24.6-129.4 -71.5 136.6 48.3 -7.6 -30.2 10 16 A V G > S+ 0 0 7 67,-3.1 3,-2.4 1,-0.3 -1,-0.1 0.676 96.8 86.1 -64.7 -15.7 50.4 -10.0 -28.1 11 17 A S G 3 + 0 0 72 1,-0.3 -1,-0.3 66,-0.2 19,-0.1 0.648 69.2 79.0 -56.5 -17.1 53.0 -10.0 -30.8 12 18 A K G < S+ 0 0 55 -3,-1.8 18,-2.8 17,-0.1 2,-0.3 0.748 92.2 61.4 -61.6 -25.6 54.4 -6.8 -29.1 13 19 A Y E < S-B 29 0B 10 -3,-2.4 2,-0.5 16,-0.2 16,-0.2 -0.808 85.5-137.2-101.0 145.7 55.9 -9.4 -26.7 14 20 A E E -B 28 0B 71 14,-2.5 14,-2.0 -2,-0.3 2,-0.2 -0.929 22.1-120.2-108.8 118.9 58.4 -12.0 -27.9 15 21 A K E +B 27 0B 104 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.359 36.2 168.4 -65.6 121.9 57.9 -15.6 -26.6 16 22 A L E - 0 0 80 10,-2.8 2,-0.3 1,-0.2 11,-0.2 0.849 57.3 -14.2 -97.8 -44.4 61.0 -16.9 -24.7 17 23 A A E -B 26 0B 50 9,-1.6 9,-3.0 0, 0.0 -1,-0.2 -0.908 56.5-113.2-168.9 131.6 59.9 -20.1 -22.9 18 24 A K E +B 25 0B 115 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.305 37.8 155.4 -59.2 147.6 56.9 -22.3 -21.8 19 25 A I + 0 0 93 5,-2.1 -1,-0.1 1,-0.5 6,-0.1 0.346 53.6 60.5-135.1 -75.7 56.3 -22.6 -18.1 20 26 A G 0 0 21 4,-0.3 4,-1.0 1,-0.1 -1,-0.5 -0.365 360.0 360.0 -59.5 136.7 52.7 -23.5 -17.3 21 27 A Q 0 0 202 2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.154 360.0 360.0-145.3 360.0 51.5 -26.8 -18.7 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 32 A E 0 0 86 0, 0.0 17,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 102.6 49.6 -22.1 -21.8 24 33 A V E - C 0 39B 29 -4,-1.0 -5,-2.1 15,-0.2 2,-0.4 -0.983 360.0-170.7-115.1 126.0 51.8 -19.7 -19.8 25 34 A F E -BC 18 38B 22 13,-2.5 13,-2.7 -2,-0.4 2,-0.5 -0.934 23.0-136.0-118.3 141.2 54.9 -18.2 -21.5 26 35 A K E +BC 17 37B 53 -9,-3.0 -10,-2.8 -2,-0.4 -9,-1.6 -0.789 42.3 173.7 -82.9 135.6 57.8 -16.1 -20.3 27 36 A A E -BC 15 36B 0 9,-3.1 9,-2.8 -2,-0.5 2,-0.5 -0.912 30.8-130.6-146.7 172.5 58.3 -13.3 -22.8 28 37 A R E -BC 14 35B 82 -14,-2.0 -14,-2.5 -2,-0.3 7,-0.2 -0.977 28.2-118.0-129.8 122.5 60.2 -10.1 -23.6 29 38 A H E > -B 13 0B 29 5,-2.6 4,-2.0 -2,-0.5 -16,-0.2 -0.383 27.8-133.1 -59.4 130.9 58.7 -6.9 -24.7 30 39 A R T 4 S+ 0 0 136 -18,-2.8 -1,-0.2 1,-0.2 -17,-0.1 0.669 97.0 34.9 -67.4 -14.8 60.2 -6.3 -28.1 31 40 A K T 4 S+ 0 0 185 -19,-0.3 -1,-0.2 3,-0.1 -18,-0.1 0.822 129.9 23.3-105.0 -37.3 61.2 -2.7 -27.5 32 41 A T T 4 S- 0 0 98 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.514 90.1-126.3-112.7 -17.8 62.3 -2.4 -23.9 33 42 A G < + 0 0 11 -4,-2.0 -3,-0.1 1,-0.3 -20,-0.0 0.386 50.3 159.9 84.2 -2.8 63.3 -5.9 -23.1 34 43 A Q - 0 0 78 -6,-0.2 -5,-2.6 1,-0.1 2,-0.3 -0.282 38.1-130.2 -56.1 125.0 61.0 -6.0 -20.0 35 44 A K E +C 28 0B 92 -7,-0.2 52,-1.7 -3,-0.1 2,-0.3 -0.625 35.6 167.3 -82.1 138.1 60.3 -9.6 -19.1 36 45 A V E -CD 27 86B 0 -9,-2.8 -9,-3.1 -2,-0.3 2,-0.5 -0.883 33.8-119.3-139.4 166.9 56.6 -10.6 -18.6 37 46 A A E -CD 26 85B 12 48,-3.4 48,-2.8 -2,-0.3 2,-0.6 -0.970 21.4-157.4-112.0 129.2 54.4 -13.7 -18.2 38 47 A L E -CD 25 84B 0 -13,-2.7 -13,-2.5 -2,-0.5 2,-0.6 -0.909 5.5-168.0-106.3 118.3 51.7 -14.3 -20.8 39 48 A K E -CD 24 83B 65 44,-2.4 44,-2.4 -2,-0.6 -15,-0.2 -0.916 14.5-143.6-109.9 115.2 48.8 -16.5 -19.6 40 49 A K E - D 0 82B 63 -17,-2.7 2,-0.6 -2,-0.6 42,-0.2 -0.485 21.0-117.8 -74.4 144.6 46.5 -17.6 -22.4 41 50 A V - 0 0 16 40,-2.3 40,-0.3 -2,-0.1 -1,-0.1 -0.803 35.7-118.7 -85.2 118.9 42.9 -17.8 -21.5 42 51 A L - 0 0 123 -2,-0.6 12,-0.1 1,-0.1 -1,-0.0 -0.294 30.0-176.8 -66.6 136.9 41.9 -21.4 -22.0 43 52 A M > + 0 0 102 -2,-0.1 3,-0.6 7,-0.1 2,-0.5 0.055 36.3 123.7-127.0 26.5 39.2 -22.2 -24.5 44 53 A E T 3 S+ 0 0 166 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.787 88.6 1.6 -88.9 130.9 38.5 -26.0 -24.2 45 54 A N T 3 S+ 0 0 146 -2,-0.5 2,-1.5 1,-0.2 -1,-0.2 0.588 87.9 148.6 71.3 12.6 34.9 -26.9 -23.5 46 55 A E < + 0 0 80 -3,-0.6 3,-0.3 1,-0.2 -1,-0.2 -0.642 7.2 158.0 -86.4 89.3 34.0 -23.2 -23.5 47 56 A K + 0 0 181 -2,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.475 62.3 60.0 -89.4 -7.3 30.5 -23.5 -24.8 48 57 A E S S- 0 0 68 1,-0.5 -1,-0.2 -3,-0.1 4,-0.1 -0.359 106.2-106.6-125.0 48.2 29.3 -20.1 -23.5 49 58 A G S S+ 0 0 4 -3,-0.3 -1,-0.5 2,-0.1 3,-0.1 -0.173 89.0 15.2 58.7-152.0 31.5 -17.6 -25.2 50 59 A F S S- 0 0 6 380,-0.2 5,-0.1 1,-0.1 -7,-0.1 -0.336 98.2 -98.7 -59.6 122.0 34.2 -15.8 -23.2 51 60 A P >> - 0 0 8 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.034 20.2-145.8 -51.2 122.5 34.8 -17.7 -19.9 52 61 A I H 3> S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.810 100.5 61.2 -60.5 -27.7 33.0 -16.2 -16.9 53 62 A T H 3> S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 105.4 45.5 -68.2 -38.6 35.9 -17.3 -14.8 54 63 A A H <> S+ 0 0 10 -3,-0.6 4,-3.0 2,-0.2 5,-0.2 0.858 111.3 53.0 -69.5 -38.8 38.3 -15.2 -16.8 55 64 A L H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.899 111.2 47.5 -59.0 -43.8 35.9 -12.2 -16.7 56 65 A R H X S+ 0 0 34 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.929 113.6 45.7 -64.2 -47.1 35.7 -12.6 -12.9 57 66 A E H X S+ 0 0 39 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.957 113.7 48.9 -62.4 -49.6 39.5 -12.8 -12.5 58 67 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.888 109.9 54.0 -54.4 -43.1 40.1 -9.9 -14.9 59 68 A K H X S+ 0 0 52 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.958 113.3 41.8 -59.0 -47.4 37.5 -8.0 -12.9 60 69 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 3,-0.5 0.926 112.5 51.4 -67.2 -47.5 39.3 -8.6 -9.6 61 70 A L H < S+ 0 0 2 -4,-3.2 11,-0.3 1,-0.3 -1,-0.2 0.845 108.2 53.6 -58.2 -36.2 42.9 -8.0 -10.9 62 71 A Q H < S+ 0 0 61 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.829 112.4 45.6 -69.4 -28.6 41.8 -4.7 -12.4 63 72 A L H < S+ 0 0 81 -4,-1.1 2,-0.9 -3,-0.5 -2,-0.2 0.908 99.2 73.5 -76.4 -45.8 40.5 -3.8 -9.0 64 73 A L < + 0 0 1 -4,-2.7 2,-0.5 1,-0.0 -1,-0.1 -0.629 52.3 162.5 -84.8 105.2 43.4 -4.9 -6.8 65 74 A K + 0 0 97 -2,-0.9 2,-0.3 6,-0.1 6,-0.1 -0.916 23.3 127.2-123.9 104.9 46.3 -2.5 -7.2 66 75 A H > - 0 0 51 -2,-0.5 3,-1.6 3,-0.4 52,-0.0 -0.983 67.3-109.7-160.1 148.7 48.9 -2.9 -4.3 67 76 A E T 3 S+ 0 0 120 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.808 119.4 42.7 -55.7 -31.9 52.6 -3.5 -3.6 68 77 A N T 3 S+ 0 0 7 78,-0.1 79,-2.2 2,-0.1 2,-0.4 0.107 101.4 80.7-106.0 21.6 51.9 -7.1 -2.3 69 78 A V B < S-f 147 0C 1 -3,-1.6 -3,-0.4 77,-0.3 79,-0.2 -0.997 90.0-100.0-127.4 136.4 49.3 -8.1 -5.0 70 79 A V - 0 0 16 77,-2.9 2,-0.6 -2,-0.4 -4,-0.2 -0.015 39.3-127.4 -53.3 147.0 50.3 -9.4 -8.4 71 80 A N - 0 0 59 15,-0.1 15,-1.1 -6,-0.1 2,-0.6 -0.888 9.7-152.7-111.3 112.7 50.0 -6.8 -11.1 72 81 A L E -E 85 0B 8 -2,-0.6 13,-0.2 -11,-0.3 3,-0.1 -0.680 11.4-173.3 -77.0 117.4 48.1 -7.3 -14.3 73 82 A I E - 0 0 59 11,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.915 55.5 -46.4 -79.0 -48.1 49.7 -5.0 -16.9 74 83 A E E -E 84 0B 40 10,-0.9 10,-3.1 2,-0.0 2,-0.4 -0.979 47.5-102.7-171.6 172.3 47.2 -5.5 -19.8 75 84 A I E -E 83 0B 14 -2,-0.3 -67,-0.5 8,-0.2 2,-0.3 -0.956 36.2-162.6-114.7 132.3 45.2 -7.9 -21.9 76 85 A C E -E 82 0B 0 6,-3.0 6,-3.2 -2,-0.4 -67,-0.2 -0.864 4.9-160.0-120.5 148.1 46.4 -8.8 -25.4 77 86 A R B a 9 0A 58 -69,-1.7 -67,-3.1 -2,-0.3 -66,-0.2 -0.347 360.0 360.0-108.8-170.7 44.7 -10.3 -28.5 78 87 A T 0 0 104 2,-0.5 3,-0.1 -69,-0.2 -69,-0.1 0.471 360.0 360.0-130.8 360.0 45.9 -12.1 -31.6 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 98 A S 0 0 77 0, 0.0 -2,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 175.6 43.2 -16.3 -28.3 81 99 A I - 0 0 10 -40,-0.3 -40,-2.3 -4,-0.2 2,-0.4 -0.996 360.0-156.0-143.8 142.3 43.5 -13.6 -25.5 82 100 A Y E -DE 40 76B 11 -6,-3.2 -6,-3.0 -2,-0.3 2,-0.5 -0.964 12.2-142.4-129.9 137.5 46.4 -13.2 -23.0 83 101 A L E -DE 39 75B 8 -44,-2.4 -44,-2.4 -2,-0.4 2,-0.6 -0.820 24.7-144.3 -87.2 130.1 46.7 -11.7 -19.6 84 102 A V E +DE 38 74B 0 -10,-3.1 -11,-3.0 -2,-0.5 -10,-0.9 -0.894 21.5 177.6-103.6 119.4 50.0 -10.0 -19.2 85 103 A F E -DE 37 72B 13 -48,-2.8 -48,-3.4 -2,-0.6 -13,-0.2 -0.916 40.6 -98.3-114.3 146.8 51.9 -10.0 -15.8 86 104 A D E -D 36 0B 67 -15,-1.1 -50,-0.2 -2,-0.4 -15,-0.1 -0.338 56.1-106.7 -47.6 131.2 55.2 -8.7 -14.6 87 105 A F - 0 0 48 -52,-1.7 2,-0.4 -60,-0.1 -1,-0.1 -0.445 36.9-166.5 -72.5 140.5 57.5 -11.8 -14.8 88 106 A C - 0 0 24 1,-0.1 52,-0.1 -2,-0.1 -1,-0.0 -0.964 11.4-163.0-132.2 122.6 58.4 -13.2 -11.4 89 107 A E + 0 0 118 -2,-0.4 2,-0.2 50,-0.1 -1,-0.1 0.916 67.2 42.8 -70.1 -47.7 61.1 -15.8 -11.1 90 108 A H E -G 139 0C 79 49,-0.9 49,-1.6 4,-0.0 2,-0.3 -0.610 53.4-168.2-109.4 163.0 60.4 -17.3 -7.7 91 109 A D E >> -G 138 0C 48 47,-0.3 4,-2.1 -2,-0.2 3,-1.2 -0.995 37.5-112.8-144.1 142.9 57.5 -18.5 -5.5 92 110 A L H 3> S+ 0 0 0 45,-2.5 4,-2.2 42,-0.4 43,-0.2 0.790 117.2 55.1 -44.8 -38.4 57.3 -19.5 -1.8 93 111 A A H 3> S+ 0 0 27 41,-1.0 4,-1.4 44,-0.3 -1,-0.3 0.908 110.4 44.7 -63.1 -43.4 56.7 -23.1 -2.8 94 112 A G H <4 S+ 0 0 31 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.919 115.5 46.2 -63.7 -50.6 59.9 -23.3 -4.9 95 113 A L H >< S+ 0 0 23 -4,-2.1 3,-1.0 1,-0.2 6,-0.2 0.871 113.1 49.1 -63.3 -37.6 62.1 -21.5 -2.4 96 114 A L H 3< S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.827 109.7 50.6 -75.0 -29.1 60.9 -23.6 0.6 97 115 A S T 3< S+ 0 0 95 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.2 0.260 95.9 88.3 -89.7 14.6 61.4 -26.9 -1.2 98 116 A N X - 0 0 69 -3,-1.0 3,-1.2 1,-0.1 -1,-0.1 -0.913 62.0-164.4-119.5 105.4 64.9 -25.7 -2.1 99 117 A V T 3 S+ 0 0 124 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.694 86.5 62.0 -60.6 -27.4 67.4 -26.6 0.6 100 118 A L T 3 S+ 0 0 159 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.815 89.4 84.0 -69.8 -31.0 70.1 -24.2 -0.7 101 119 A V < - 0 0 36 -3,-1.2 2,-0.4 -6,-0.2 -3,-0.1 -0.593 64.5-175.4 -74.4 129.8 67.7 -21.3 -0.0 102 120 A K - 0 0 170 -2,-0.3 2,-0.4 2,-0.0 -6,-0.0 -0.966 13.3-163.1-139.4 124.2 67.9 -20.1 3.6 103 121 A F - 0 0 43 -2,-0.4 2,-0.1 96,-0.2 198,-0.0 -0.821 14.5-140.2 -99.9 138.5 65.8 -17.5 5.5 104 122 A T > - 0 0 78 -2,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.483 32.0-107.7 -83.3 162.8 66.8 -16.0 8.8 105 123 A L H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 122.1 59.2 -55.6 -34.7 64.1 -15.4 11.4 106 124 A S H > S+ 0 0 24 1,-0.2 193,-1.6 2,-0.2 4,-0.9 0.895 108.9 43.2 -66.2 -35.5 64.5 -11.7 10.7 107 125 A E H >> S+ 0 0 31 -3,-0.4 4,-2.3 191,-0.2 3,-0.5 0.914 106.7 58.3 -78.7 -41.4 63.6 -12.4 7.1 108 126 A I H 3X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.3 5,-0.3 0.878 103.1 56.3 -52.4 -41.7 60.7 -14.8 7.8 109 127 A K H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.897 106.5 49.9 -54.8 -43.0 59.1 -12.0 9.8 110 128 A R H S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-0.4 0.859 114.6 49.2 -67.3 -36.3 42.4 -7.7 -0.7 123 141 A H H ><5S+ 0 0 15 -4,-2.3 3,-2.4 -5,-0.3 -1,-0.2 0.888 103.9 60.2 -66.9 -41.5 39.9 -8.4 2.1 124 142 A R H 3<5S+ 0 0 170 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.735 103.9 52.5 -53.6 -25.9 39.5 -4.7 2.6 125 143 A N T 3<5S- 0 0 47 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.054 123.4-107.8-100.3 17.4 38.3 -4.7 -1.0 126 144 A K T < 5S+ 0 0 142 -3,-2.4 30,-3.0 1,-0.2 2,-0.4 0.854 75.8 135.2 64.4 36.1 35.8 -7.4 -0.3 127 145 A I E < -I 155 0D 5 -5,-2.0 2,-0.4 28,-0.3 28,-0.2 -0.976 43.0-154.9-117.8 136.0 37.7 -10.1 -2.2 128 146 A L E -I 154 0D 0 26,-3.1 26,-2.0 -2,-0.4 -9,-0.0 -0.901 4.4-157.4-102.6 134.7 38.4 -13.6 -1.1 129 147 A H - 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